ethyl 2-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0681 |
| Compound Name: | ethyl 2-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 649.79 |
| Molecular Formula: | C32 H35 N5 O6 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nnc(CNC(c2ccc(c(c2)OC)OC)=O)n1c1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7775 |
| logD: | 2.8174 |
| logSw: | -4.5664 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.252 |
| InChI Key: | YWQVBFCXWGTCOB-UHFFFAOYSA-N |